![6,7-Diaminobenzo[de]isochromene-1,3-dione structure](/static/products/5589/5589-17-3.webp)
6,7-Diaminobenzo[de]isochromene-1,3-dione
TL;DR: 6,7-Diaminobenzo[de]isochromene-1,3-dione (CAS 5589-17-3) is a chemical compound with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,10-diimino-3-oxatricyclo[7.3.1.05,13]trideca-1,4,6,9(13),11-pentaene-2,4-diol
Also Known As: 6,7-Diaminobenzo[de]isochromene-1,3-dione, 6,7-diamino-1H,3H-benzo[de]isochromene-1,3-dione
| Molecular Formula | C12H8N2O3 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.39394 |
| Topological Polar Surface Area | 101.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.0535 |
| Heavy Atoms | 17 |
| Complexity | 785.9203 |
Chemical Identifiers
| CAS Number | 5589-17-3 |
|---|---|
| SMILES | C1=CC(=N)C2=C3C1=C(OC(=C3C=CC2=N)O)O |
Product Overview
6,7-Diaminobenzo[de]isochromene-1,3-dione (CAS 5589-17-3), with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol. IUPAC: 8,10-diimino-3-oxatricyclo[7.3.1.05,13]trideca-1,4,6,9(13),11-pentaene-2,4-diol.
Chemical Property Profile of 6,7-Diaminobenzo[de]isochromene-1,3-dione
Property Insights of 6,7-Diaminobenzo[de]isochromene-1,3-dione
The XLogP value of 1.39394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Diaminobenzo[de]isochromene-1,3-dione. The TPSA of 101.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Diaminobenzo[de]isochromene-1,3-dione. Following Lipinski's Rule of Five, 6,7-Diaminobenzo[de]isochromene-1,3-dione has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-Diaminobenzo[de]isochromene-1,3-dione?
The CAS number of 6,7-Diaminobenzo[de]isochromene-1,3-dione is 5589-17-3.
What is the molecular formula of 6,7-Diaminobenzo[de]isochromene-1,3-dione?
The molecular formula of 6,7-Diaminobenzo[de]isochromene-1,3-dione is C12H8N2O3.
What is the molecular weight of 6,7-Diaminobenzo[de]isochromene-1,3-dione?
The molecular weight of 6,7-Diaminobenzo[de]isochromene-1,3-dione is 228.05 g/mol.
Where can I buy 6,7-Diaminobenzo[de]isochromene-1,3-dione?
You can request a quote for 6,7-Diaminobenzo[de]isochromene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Diaminobenzo[de]isochromene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Diaminobenzo[de]isochromene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.